SCHEMBL8259732

SCHEMBL8259732

C=CS/C(=N\C)c1ccc(C)c(-c2cnc(NC(=O)c3snnc3C)cn2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ IL2 P60568 7/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTT P42858 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8256827 0.89 LMNA (0.38) LMNAPOLBIL2ADORA2AADORA1
SCHEMBL8260033 0.85 LMNA (0.36) LMNAPOLBIL2ALDH1A1USP2
SCHEMBL8260246 0.83 LMNA (0.39) LMNAPOLBIL2ALDH1A1USP2
SCHEMBL8261514 0.82 IL2 (0.42) LMNAPOLBIL2ADORA2AADORA1
SCHEMBL8260160 0.82 LMNA (0.38) LMNAPOLBIL2ALDH1A1USP2
SCHEMBL8252236 0.82 ALDH1A1 (0.39) LMNAPOLBIL2ALDH1A1USP2
SCHEMBL8260065 0.81 IL2 (0.53) IL2
SCHEMBL8260057 0.81 IL2 (0.46) IL2
SCHEMBL8257487 0.77 POLB (0.40) LMNAPOLBALDH1A1USP2KDM4E
SCHEMBL15214064 0.74 IL2 (0.43) LMNAPOLBIL2USP2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006081391-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 — — WO disclosed
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